re-d

Author: unkcpz

setup.cfg

@@ -19,7 +19,7 @@ classifiers =
 [options]
 packages = find:
 install_requires =
-    aiida-core[atomic-tools]>=2.0,<3
+    aiida-core>=2.0,<3
     aiidalab-eln>=0.1.2,~=0.1
     ansi2html~=1.6
     bokeh~=2.0
@@ -31,6 +31,9 @@ install_requires =
     scikit-learn~=0.24
     vapory~=0.1.2
     ipywidgets~=7.7
+    PyCifRW~=4.4
+    ase~=3.18
+    spglib~=1.14
 python_requires = >=3.8
 include_package_data = True
 zip_safe = False